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Oxirane, 2-methyl-2-(4-methyl-3-pentenyl)-3-(3,8,12,16-tetramethyl-3,7,11,15-heptadecatetraenyl)-, [2.alpha.,3.beta.(3E,7E,11E)]-(.+-.)-
SpectraBase Compound ID Ly1Pv2NMC5S
InChI InChI=1S/C30H50O/c1-24(2)14-11-18-27(6)20-12-19-26(5)16-9-10-17-28(7)21-22-29-30(8,31-29)23-13-15-25(3)4/h14-17,20,29H,9-13,18-19,21-23H2,1-8H3/b26-16+,27-20+,28-17+/t29-,30+/m1/s1
InChIKey ZBGRMKZSJNJFTN-SVOBQUTNSA-N
Mol Weight 426.7 g/mol
Molecular Formula C30H50O
Exact Mass 426.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrlNBVhUDHE
Name Oxirane, 2-methyl-2-(4-methyl-3-pentenyl)-3-(3,8,12,16-tetramethyl-3,7,11,15-heptadecatetraenyl)-, [2.alpha.,3.beta.(3E,7E,11E)]-(.+-.)-
CAS Registry Number 118245-20-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O
InChI InChI=1S/C30H50O/c1-24(2)14-11-18-27(6)20-12-19-26(5)16-9-10-17-28(7)21-22-29-30(8,31-29)23-13-15-25(3)4/h14-17,20,29H,9-13,18-19,21-23H2,1-8H3/b26-16+,27-20+,28-17+/t29-,30+/m1/s1
InChIKey ZBGRMKZSJNJFTN-SVOBQUTNSA-N
Molecular Weight 426.729 g/mol
SMILES [C@@]1(O[C@@]1(CC\C(=C\CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)[H])(CCC=C(C)C)C
SPLASH splash10-0a4s-0910000000-e6a45cc53de378fc1802
Source of Spectrum KC-1988-465-10
Synonyms (2S,3R)-2-methyl-2-(4-methyl-3-pentenyl)-3-[(3E,7E,11E)-3,8,12,16-tetramethyl-3,7,11,15-heptadecatetraenyl]oxirane (6E,10E,14E)-trans-18,19-epoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,22-pentane
Wiley ID 1380272